methyl 2-fluoro-2-propan-2-ylsulfanylacetate

C6H11FO2S — CID 15852188

IUPACmethyl 2-fluoro-2-propan-2-ylsulfanylacetate
SMILESCOC(=O)C(F)SC(C)C
InChIInChI=1S/C6H11FO2S/c1-4(2)10-5(7)6(8)9-3/h4-5H,1-3H3
InChIKeyJMTHEFBPQGAPTF-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.60
Rot. Bonds3

About methyl 2-fluoro-2-propan-2-ylsulfanylacetate

methyl 2-fluoro-2-propan-2-ylsulfanylacetate (PubChem CID 15852188) has the molecular formula C6H11FO2S and a molecular weight of 166.22 g/mol. Its IUPAC name is methyl 2-fluoro-2-propan-2-ylsulfanylacetate.

Molecular Properties

Compound Namemethyl 2-fluoro-2-propan-2-ylsulfanylacetate
PubChem CID15852188
Molecular FormulaC6H11FO2S
Molecular Weight166.22 g/mol
Exact Mass166.05
IUPAC Namemethyl 2-fluoro-2-propan-2-ylsulfanylacetate
SMILESCOC(=O)C(F)SC(C)C
InChIInChI=1S/C6H11FO2S/c1-4(2)10-5(7)6(8)9-3/h4-5H,1-3H3
InChIKeyJMTHEFBPQGAPTF-UHFFFAOYSA-N
XLogP1.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-2-propan-2-ylsulfanylacetate?
The IUPAC name of methyl 2-fluoro-2-propan-2-ylsulfanylacetate (CID 15852188) is methyl 2-fluoro-2-propan-2-ylsulfanylacetate.
What is the SMILES notation for methyl 2-fluoro-2-propan-2-ylsulfanylacetate?
The canonical SMILES for methyl 2-fluoro-2-propan-2-ylsulfanylacetate is COC(=O)C(F)SC(C)C.
What is the InChIKey of methyl 2-fluoro-2-propan-2-ylsulfanylacetate?
The InChIKey is JMTHEFBPQGAPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO2S/c1-4(2)10-5(7)6(8)9-3/h4-5H,1-3H3.
What are the key properties of methyl 2-fluoro-2-propan-2-ylsulfanylacetate?
methyl 2-fluoro-2-propan-2-ylsulfanylacetate has a molecular weight of 166.22 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-2-propan-2-ylsulfanylacetate is sourced from PubChem (CID 15852188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).